3-phenethyl-5-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-phenethyl-5-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-phenethyl-5-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 3-phenethyl-5-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-phenethyl-5-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-phenethyl-5-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)CC3=NC(=NO3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)CC3=NC(=NO3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O/c1-2-8-17(9-3-1)12-13-20-23-21(26-24-20)16-25-15-7-5-11-19(25)18-10-4-6-14-22-18/h1-4,6,8-10,14,19H,5,7,11-13,15-16H2/p+1/t19-/m0/s1